8-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-xanthine Formula: C24H27N6O4+ MolecularWeight: 463.50898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N6O4/c1-26-21-20(23(32)27(2)24(26)33)30(15-17-7-4-3-5-8-17)19(25-21)16-28-10-12-29(13-11-28)22(31)18-9-6-14-34-18/h3-9,14H,10-13,15-16H2,1-2H3/p+1